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DocumentationIdentifier: MM250822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250822 |
| SMILES |
CN(CC=O)CCC(=N)N
|
| InChIKey |
MMPVBFJHBDMFEO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144400
Similarity: 0.7727
Similarity to MM144400
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250708
Similarity: 0.7083
Similarity to MM250708
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8293 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82604
Similarity: 0.6277
Similarity to MM82604
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7801 |
| Dice metric | 0.7712 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
